1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol

C19H29N3O2 — CID 47625050

IUPAC1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNCc1cn[nH]c1C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-14(15-8-6-5-7-9-15)24-13-17(23)12-20-10-16-11-21-22-18(16)19(2,3)4/h5-9,11,14,17,20,23H,10,12-13H2,1-4H3,(H,21,22)
InChIKeyBNKVGEKSMAJIKR-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.94
Rot. Bonds8

About 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol

1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 47625050) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID47625050
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNCc1cn[nH]c1C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-14(15-8-6-5-7-9-15)24-13-17(23)12-20-10-16-11-21-22-18(16)19(2,3)4/h5-9,11,14,17,20,23H,10,12-13H2,1-4H3,(H,21,22)
InChIKeyBNKVGEKSMAJIKR-UHFFFAOYSA-N
XLogP2.94
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol with MolForge

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Related Compounds

(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 111423546
(1R)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579606
(1S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579607
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
CID 111448944
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 86808519
1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 114942117
1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 63000890
[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 47626527
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol (CID 47625050) is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNCc1cn[nH]c1C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is BNKVGEKSMAJIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(15-8-6-5-7-9-15)24-13-17(23)12-20-10-16-11-21-22-18(16)19(2,3)4/h5-9,11,14,17,20,23H,10,12-13H2,1-4H3,(H,21,22).
What are the key properties of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 331.46 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 47625050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).